General Information of the Compound
| Compound ID |
CP0524734
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| Compound Name |
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]propanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-5-(diaminomethylideneamino)pentanamide
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| Structure |
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| Formula |
C34H49N11O8
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| Molecular Weight |
739.835
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| Canonical SMILES |
C[C@H](NC(=O)CNC(=O)CN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
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| InChI |
InChI=1S/C34H49N11O8/c1-20(41-28(48)18-40-27(47)17-35)30(50)45-26(19-46)33(53)44-25(16-22-11-6-3-7-12-22)32(52)42-23(13-8-14-39-34(37)38)31(51)43-24(29(36)49)15-21-9-4-2-5-10-21/h2-7,9-12,20,23-26,46H,8,13-19,35H2,1H3,(H2,36,49)(H,40,47)(H,41,48)(H,42,52)(H,43,51)(H,44,53)(H,45,50)(H4,37,38,39)/t20-,23-,24-,25-,26-/m0/s1
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| InChIKey |
HYVFXOIFBMUDNU-REVLRCOSSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound